methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride

C7H14ClNO3 — CID 155973336

IUPACmethyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1NCCC[C@@H]1O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(10)6-5(9)3-2-4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyFMKJDOVAUFHARJ-RIHPBJNCSA-N
MW195.65 g/mol
LogP-0.31
Rot. Bonds1

About methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride

methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride (PubChem CID 155973336) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride
PubChem CID155973336
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Namemethyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1NCCC[C@@H]1O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(10)6-5(9)3-2-4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyFMKJDOVAUFHARJ-RIHPBJNCSA-N
XLogP-0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
methyl (2S,3R)-3-aminopyrrolidine-2-carboxylate
CID 45090024
methyl 3-aminopyrrolidine-2-carboxylate
CID 75089215
methyl (2S)-3-aminopyrrolidine-2-carboxylate
CID 141294967
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
methyl (2R,3R)-3-methylpiperazine-2-carboxylate
CID 154851459
methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride (CID 155973336) is methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride is COC(=O)[C@@H]1NCCC[C@@H]1O.Cl.
What is the InChIKey of methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride?
The InChIKey is FMKJDOVAUFHARJ-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-11-7(10)6-5(9)3-2-4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m0./s1.
What are the key properties of methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride?
methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 155973336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).